TIGEMONAM DICHOLINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C12H13N5O9S2.2C5H14NO
Molecular Weight	643.731
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[N+](C)(C)CCO.C[N+](C)(C)CCO.CC1(C)[C@H](NC(=O)C(=N/OCC([O-])=O)\C2=CSC(N)=N2)C(=O)N1OS([O-])(=O)=O

InChI

InChIKey=FRVWKWRHJIDCFO-ZJFJOYJNSA-L

InChI=1S/C12H15N5O9S2.2C5H14NO/c1-12(2)8(10(21)17(12)26-28(22,23)24)15-9(20)7(16-25-3-6(18)19)5-4-27-11(13)14-5;2*1-6(2,3)4-5-7/h4,8H,3H2,1-2H3,(H2,13,14)(H,15,20)(H,18,19)(H,22,23,24);2*7H,4-5H2,1-3H3/q;2*+1/p-2/b16-7-;;/t8-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	C12H15N5O9S2
Molecular Weight	437.406
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	1
Optical Activity	UNSPECIFIED

Molecular Formula	C5H13NO
Molecular Weight	103.1628
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:48:07 UTC 2023` Edited by `admin` on `Fri Dec 15 17:48:07 UTC 2023`
Record UNII	648358RH17
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TIGEMONAM DICHOLINE

Official Name

English

SQ-30836

Code

English

TIGEMEN

Brand Name

English

TIGEMONAM DICHOLINE [USAN]

Common Name

English

Choline, salt with [[[(Z)-(2-amino-4-thiazolyl)[[(3S)-1-hydroxy-2,2-dimethyl-4-oxo-3-azetidinyl]carbamoyl]methylene]amino]oxy]acetic acid hydrogen sulfate (ester) (2:1)

Common Name

English

SQ 30836

Code

English

TIGEMONAM DICHOLINE SALT [MI]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C260